2-fluoro-3-(thian-4-yl)propan-1-ol

C8H15FOS — CID 105437755

IUPAC2-fluoro-3-(thian-4-yl)propan-1-ol
SMILESOCC(F)CC1CCSCC1
InChIInChI=1S/C8H15FOS/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8,10H,1-6H2
InChIKeyDUWOZDBVWHNCTD-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.85
Rot. Bonds3

About 2-fluoro-3-(thian-4-yl)propan-1-ol

2-fluoro-3-(thian-4-yl)propan-1-ol (PubChem CID 105437755) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-fluoro-3-(thian-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-(thian-4-yl)propan-1-ol
PubChem CID105437755
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name2-fluoro-3-(thian-4-yl)propan-1-ol
SMILESOCC(F)CC1CCSCC1
InChIInChI=1S/C8H15FOS/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8,10H,1-6H2
InChIKeyDUWOZDBVWHNCTD-UHFFFAOYSA-N
XLogP1.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Thian-3-yl)methanol
CID 21959000
3-(Trifluoromethyl)tetrahydro-2 H-thiopyran-2-ol
CID 162787536
[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol
CID 89078257
[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol
CID 89109116
(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol
CID 118119109
(4-Fluorothian-4-yl)methanol
CID 84020828
(3-Fluorothian-3-yl)methanol
CID 84020829
2-(4-Fluorothian-4-yl)ethanol
CID 84651962
2-(3-Fluorothian-4-yl)ethanol
CID 105432506
2-Fluoro-3-(thiolan-3-yl)propan-1-ol
CID 105432507
2-Fluoro-2-(thian-3-yl)ethanol
CID 105432509
2-Fluoro-2-(thian-4-yl)ethanol
CID 105432510

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(thian-4-yl)propan-1-ol?
The IUPAC name of 2-fluoro-3-(thian-4-yl)propan-1-ol (CID 105437755) is 2-fluoro-3-(thian-4-yl)propan-1-ol.
What is the SMILES notation for 2-fluoro-3-(thian-4-yl)propan-1-ol?
The canonical SMILES for 2-fluoro-3-(thian-4-yl)propan-1-ol is OCC(F)CC1CCSCC1.
What is the InChIKey of 2-fluoro-3-(thian-4-yl)propan-1-ol?
The InChIKey is DUWOZDBVWHNCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FOS/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8,10H,1-6H2.
What are the key properties of 2-fluoro-3-(thian-4-yl)propan-1-ol?
2-fluoro-3-(thian-4-yl)propan-1-ol has a molecular weight of 178.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(thian-4-yl)propan-1-ol is sourced from PubChem (CID 105437755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).